3,5-Dibromo-D-tyrosine

Base Information

• Chemical Name: 3,5-Dibromo-D-tyrosine
• CAS No.: 50299-42-8
• Molecular Formula: C9H9 Br2 N O3
• Molecular Weight: 338.983
• Hs Code.: 2922509090
• European Community (EC) Number: 851-609-0
• DSSTox Substance ID: DTXSID90350900
• Nikkaji Number: J2.573.467J
• Mol file: 50299-42-8.mol

Synonyms:3,5-Dibromo-D-tyrosine;50299-42-8;(R)-2-Amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid;(2R)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid;(2R)-2-azaniumyl-3-(3,5-dibromo-4-hydroxyphenyl)propanoate;D-Tyrosine, 3,5-dibromo-;C9H9Br2NO3;d-3,5-dibromotyrosine;SCHEMBL838919;DTXSID90350900;CS-M0465;MFCD01076162;AKOS022186472;AM83554;AS-70505;HY-75853;PD196063;C12438;D-1705;(R)-2-Amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoicacid

Chemical Property of 3,5-Dibromo-D-tyrosine

Chemical Property:

• Vapor Pressure: 1.1E-07mmHg at 25°C
• Boiling Point: 416.6oC at 760 mmHg
• PKA: 2.16±0.30(Predicted)
• Flash Point: 205.7oC
• PSA: 83.55000
• Density: 2.014g/cm3
• LogP: 2.57190
• Storage Temp.: Store at RT.
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 338.89287
• Heavy Atom Count: 15
• Complexity: 227

Purity/Quality:

98%Min ^*data from raw suppliers

D-3,5-Dibromotyrosine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Br)O)Br)CC(C(=O)O)N
• Isomeric SMILES: C1=C(C=C(C(=C1Br)O)Br)C[C@H](C(=O)O)N

Technology Process of 3,5-Dibromo-D-tyrosine

There total 1 articles about 3,5-Dibromo-D-tyrosine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

tyrosine (556-02-5,18875-48-4,25619-78-7,30704-25-7) → (R)-3,5-bromotyrosine bromate (50299-42-8)

Guidance literature:

With bromine; In acetic acid; at 80 ℃; for 2h;

DOI:10.1016/S0040-4020(99)00553-0

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + (R)-3,5-bromotyrosine bromate (50299-42-8) → N-[(1,1-dimethylethoxy)carbonyl]-3,5-dibromo-D-tyrosine (349535-07-5)

Guidance literature:

With sodium hydrogencarbonate; In water; acetonitrile; at 20 ℃;

Reference yield:

(R)-3,5-bromotyrosine bromate (50299-42-8) + methyl iodide (74-88-4) → D-N,N,N-trimethyl-3,5-dibromotyrosine

Guidance literature:

With potassium hydrogencarbonate; In methanol; Ambient temperature;

DOI:10.1016/S0040-4020(99)00553-0

upstream raw materials:

tyrosine

Downstream raw materials:

N-[(1,1-dimethylethoxy)carbonyl]-3,5-dibromo-D-tyrosine

Refernces

• 1、 Gao, Hongfeng,Kelly, Michelle,Hamann, Mark T.. "Bromotyrosine-derived Metabolites from the Sponge Aiolochoria crassa". . p. 9717 - 9726. Retrieved 2007/10/03.